C1=CC(=C(C(=C1C(=O)O)F)F)F
CAS: 61079-72-9
Name: 2,3,4-trifluorobenzoic acid
SMILES: C1=CC(=C(C(=C1C(=O)O)F)F)F

Molecular Processing

Molecular formula
C7H3F3O2
Molecular weight
176.09
Exact mass
176.0085
XLogP
1.8
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.28

Supplementary Information

InChIKey: WEPXLRANFJEOFZ-UHFFFAOYSA-N
Synonyms
2,3,4-Trifluorobenzoic acid61079-72-9Benzoic acid, 2,3,4-trifluoro-DTXSID70307311RefChem:813132,3,4-tri-fluoro-benzoic acidDTXCID50258438612-077-32,3,4-TrifluorobenzoicacidMFCD00061232NSC190684SCHEMBL241797orb3031531SCHEMBL4444760MSK2738Fr12272BBL011834SBB006557STK8025692,3,4-Trifluorobenzoic acid, 98%AKOS005063936AC-2524FT37840NSC 190684NSC-190684NCGC00336980-01AS-11581SY001815DB-019657CS-0017141
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